2-chloro-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 2-chloro-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
• 化学式: C₇H₉ClN₄O₃
• 分子量: 232.626
• InChiKey: FLHORZMVHVIQQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  92.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-四氢糠胺 、 2-chloro-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine 、 吡啶-3-异硫氰酸酯 生成
  参考文献：
  名称：

  Solid-phase synthesis of N-9-substituted 2,8-diaminopurines

  摘要：

  A general and efficient solid-phase synthesis of N-9-substituted 2,8-diaminopurines from 5-nitrouracil is described. The key synthetic transformation employs a carbodiimide-mediated cyclization of a thiourea. Thiourea formation on solid phase is performed using both thermal and microwave reaction conditions. Regiospecific solution-phase synthesis of key building blocks allows the incorporation of desired substituents at N-9 of the purine nucleus. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.10.050
• 作为产物：
  描述：

  2-甲氧基乙胺 、 2,4-二氯-5 硝基嘧啶 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 、 2-chloro-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
  参考文献：
  名称：

  Solid-phase synthesis of N-9-substituted 2,8-diaminopurines

  摘要：

  A general and efficient solid-phase synthesis of N-9-substituted 2,8-diaminopurines from 5-nitrouracil is described. The key synthetic transformation employs a carbodiimide-mediated cyclization of a thiourea. Thiourea formation on solid phase is performed using both thermal and microwave reaction conditions. Regiospecific solution-phase synthesis of key building blocks allows the incorporation of desired substituents at N-9 of the purine nucleus. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.10.050

文献信息

• Solid-phase synthesis of N-9-substituted 2,8-diaminopurines
  作者：Andrew G. Cole、Axel Metzger、Gulzar Ahmed、Marc-Raleigh Brescia、Ray J. Chan、James Wen、Linda O’Brien、Lan-Ying Qin、Ian Henderson

  DOI：10.1016/j.tetlet.2006.10.050

  日期：2006.12

  A general and efficient solid-phase synthesis of N-9-substituted 2,8-diaminopurines from 5-nitrouracil is described. The key synthetic transformation employs a carbodiimide-mediated cyclization of a thiourea. Thiourea formation on solid phase is performed using both thermal and microwave reaction conditions. Regiospecific solution-phase synthesis of key building blocks allows the incorporation of desired substituents at N-9 of the purine nucleus. (c) 2006 Elsevier Ltd. All rights reserved.